@<TRIPOS>MOLECULE
91668146
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5384    -0.0714    -2.7455	O.2	1	noname	-0.2795
2	O2     6.6844     2.1212    -0.3387	O.2	1	noname	-0.2856
3	N1     4.2620     2.0710    -0.1270	N.3	1	noname	-0.0546
4	N2     5.2458     1.5380    -2.1915	N.3	1	noname	0.0823
5	C1     3.1405     1.6805    -0.9995	C.3	1	noname	0.1229
6	C2     2.0620     0.9166    -0.2327	C.2	1	noname	-0.0363
7	C3     3.9424     0.9099    -2.0851	C.2	1	noname	0.0973
8	C4     2.6035     2.9404    -1.7597	C.3	1	noname	-0.0335
9	C5     1.2970    -1.3241     0.5226	C.2	1	noname	-0.0268
10	C6     2.2986    -0.4658    -0.0011	C.2	1	noname	-0.0305
11	C7     0.0414    -0.7299     0.9157	C.2	1	noname	-0.0358
12	C8     0.8107     1.4573     0.2403	C.2	1	noname	-0.0435
13	C9     1.5044    -2.7331     0.6441	C.2	1	noname	-0.0296
14	C10     5.5485     1.9337    -0.8256	C.2	1	noname	0.0042
15	C11    -0.2183     0.6614     0.8043	C.2	1	noname	-0.0431
16	C12     0.4245    -3.5142     1.2223	C.2	1	noname	-0.0368
17	C13    -0.9984    -1.5332     1.4643	C.2	1	noname	-0.0424
18	C14    -0.7944    -2.9130     1.6232	C.2	1	noname	-0.0425
19	C15     2.7076    -3.4280     0.2447	C.2	1	noname	-0.0436
20	C16     0.5479    -4.9221     1.4154	C.2	1	noname	-0.0469
21	C17     2.8232    -4.8307     0.4377	C.2	1	noname	-0.0562
22	C18     1.7564    -5.5649     1.0198	C.2	1	noname	-0.0568
23	H1     4.1644     2.3781     0.7879	H	1	noname	0.1338
24	H2     1.7742     2.6495    -2.4045	H	1	noname	0.0258
25	H3     2.2600     3.6813    -1.0379	H	1	noname	0.0258
26	H4     3.4027     3.3670    -2.3659	H	1	noname	0.0258
27	H5     3.2170    -0.8530    -0.2180	H	1	noname	0.0633
28	H6     0.6586     2.4631     0.1651	H	1	noname	0.0626
29	H7    -1.1008     1.0680     1.1145	H	1	noname	0.0629
30	H8    -1.8844    -1.1095     1.7396	H	1	noname	0.0629
31	H9    -1.5309    -3.4886     2.0315	H	1	noname	0.0629
32	H10     3.4772    -2.9087    -0.1776	H	1	noname	0.0629
33	H11    -0.2147    -5.4586     1.8290	H	1	noname	0.0629
34	H12     3.6769    -5.3128     0.1567	H	1	noname	0.0622
35	H13     1.8570    -6.5706     1.1572	H	1	noname	0.0622
36	H14     5.7874     1.6642    -2.9863	H	1	noname	0.1415
@<TRIPOS>BOND
1	1	7	2
2	2	14	2
3	3	5	1
4	3	14	1
5	3	23	1
6	4	7	1
7	4	14	1
8	4	36	1
9	5	6	1
10	5	7	1
11	5	8	1
12	6	10	2
13	6	12	1
14	8	24	1
15	8	25	1
16	8	26	1
17	9	10	1
18	9	11	2
19	9	13	1
20	10	27	1
21	11	15	1
22	11	17	1
23	12	15	2
24	12	28	1
25	13	16	1
26	13	19	2
27	15	29	1
28	16	18	1
29	16	20	2
30	17	18	2
31	17	30	1
32	18	31	1
33	19	21	1
34	19	32	1
35	20	22	1
36	20	33	1
37	21	22	2
38	21	34	1
39	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1